| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 17th, 2011 | 24 | Yes |
Popular Name: 3-[3-amino-3-[(4-chlorophenyl)methyl]-5-(2-cyanoethoxy)pentoxy]propanenitrile 3-[3-amino-3-[(4-chlorophenyl)me…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.69 | 6.95 | -66.49 | 3 | 5 | 1 | 94 | 350.87 | 12 | ↓ |
| Hi High (pH 8-9.5) | 1.69 | 6.73 | -12.46 | 2 | 5 | 0 | 92 | 349.862 | 12 | ↓ |
